2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide

C15H13FN2O2 — CID 47096591

IUPAC2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CO/N=C/c1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C15H13FN2O2/c16-13-8-6-12(7-9-13)10-17-20-11-15(19)18-14-4-2-1-3-5-14/h1-10H,11H2,(H,18,19)/b17-10+
InChIKeyPUFVMHVWIHHBFE-LICLKQGHSA-N
MW272.28 g/mol
LogP2.81
Rot. Bonds5

About 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide

2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide (PubChem CID 47096591) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide.

Molecular Properties

Compound Name2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
PubChem CID47096591
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide
SMILESO=C(CO/N=C/c1ccc(F)cc1)Nc1ccccc1
InChIInChI=1S/C15H13FN2O2/c16-13-8-6-12(7-9-13)10-17-20-11-15(19)18-14-4-2-1-3-5-14/h1-10H,11H2,(H,18,19)/b17-10+
InChIKeyPUFVMHVWIHHBFE-LICLKQGHSA-N
XLogP2.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylideneamino]oxy-N-phenylacetamide
CID 2430181
2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]oxy-N-phenylacetamide
CID 3263920
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7700971
N-(4-fluorophenyl)-2-[(Z)-(2-methylphenyl)methylideneamino]oxyacetamide
CID 7670162
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(4-fluorophenyl)acetamide
CID 7670659
2-[(Z)-benzylideneamino]oxy-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7643751
N-(4-dodecoxyphenyl)-2-[(E)-(4-fluorophenyl)methylideneamino]oxyacetamide
CID 142272575
2-[(Z)-benzylideneamino]oxy-N-(3,5-dimethylphenyl)acetamide
CID 7643871
2-[(3,4-diethoxyphenyl)methylideneamino]oxy-N-phenylacetamide
CID 3392833
2-[(Z)-(4-ethoxyphenyl)methylideneamino]oxy-N-(3-fluorophenyl)acetamide
CID 7669824
N-(4-fluorophenyl)-2-[(Z)-(3-nitrophenyl)methylideneamino]oxyacetamide
CID 7919493
N-(4-fluorophenyl)-2-[4-[(Z)-(phenylcarbamoylhydrazinylidene)methyl]phenoxy]acetamide
CID 6091071

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide?
The IUPAC name of 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide (CID 47096591) is 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide.
What is the SMILES notation for 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide?
The canonical SMILES for 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide is O=C(CO/N=C/c1ccc(F)cc1)Nc1ccccc1.
What is the InChIKey of 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide?
The InChIKey is PUFVMHVWIHHBFE-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13FN2O2/c16-13-8-6-12(7-9-13)10-17-20-11-15(19)18-14-4-2-1-3-5-14/h1-10H,11H2,(H,18,19)/b17-10+.
What are the key properties of 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide?
2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide has a molecular weight of 272.28 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(4-fluorophenyl)methylideneamino]oxy-N-phenylacetamide is sourced from PubChem (CID 47096591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).